General Information of the Compound
| Compound ID |
CP0392541
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| Compound Name |
3-Cyano-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C#N)nc2ccccc12
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| InChI |
InChI=1S/C24H26N6O/c1-30(2)22-20-8-3-4-9-21(20)28-24(29-22)27-19-12-10-18(11-13-19)26-23(31)17-7-5-6-16(14-17)15-25/h3-9,14,18-19H,10-13H2,1-2H3,(H,26,31)(H,27,28,29)/t18-,19+
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| InChIKey |
LNOMHNHLGYHPNB-KDURUIRLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1